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Cryo-EM structure of TMEM106B fibrils extracted from a ftld-tdp patient, polymorph 3

Analyse Cryo-EM structure of TMEM106B fibrils extracted from a ftld-tdp patient… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SAS
Type
protein
Length
1,350 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transmembrane protein 106B
UniProt
Q9NUM4
Ligands
NAG
Pockets
18 · best druggability 0.76

Structure

electron microscopy · 1 distinct chain · 0% helix, 79% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, JTransmembrane protein 106Bprotein1350% helix, 79% strandQ9NUM4

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 40 copies · chains A, D, E, B, F, C, G, H, I, J

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14690.760.8444empty
23490.760.8738empty
34700.760.8345empty
46830.760.8147empty
56740.750.8146empty

Interfaces

23 interfaces between chains.

  • B–C · 5940 Ų buried · 182 hydrogen bonds · protein-protein
  • B–F · 5940 Ų buried · 182 hydrogen bonds · protein-protein
  • C–G · 5940 Ų buried · 182 hydrogen bonds · protein-protein
  • F–J · 5938 Ų buried · 182 hydrogen bonds · protein-protein
  • D–H · 5925 Ų buried · 182 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 40 glycan, 10 disulfide (N-glycosylation, disulfide).

Compared structures

  • 7SAS · Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3 · the same entry in another collection · chain J against J, TM-score 1.00
  • Q9NUM4 · AlphaFold monomer V2.0 prediction for transmembrane protein 106B (Q9NUM4) · a predicted model of the same protein · chain A against A, TM-score 0.22

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